N-cyclooctyl-4-ethoxybenzamide

C17H25NO2 — CID 3267472

IUPACN-cyclooctyl-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-2-20-16-12-10-14(11-13-16)17(19)18-15-8-6-4-3-5-7-9-15/h10-13,15H,2-9H2,1H3,(H,18,19)
InChIKeySNBGWBQTELOILB-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.93
Rot. Bonds4

About N-cyclooctyl-4-ethoxybenzamide

N-cyclooctyl-4-ethoxybenzamide (PubChem CID 3267472) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-cyclooctyl-4-ethoxybenzamide.

Molecular Properties

Compound NameN-cyclooctyl-4-ethoxybenzamide
PubChem CID3267472
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-cyclooctyl-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-2-20-16-12-10-14(11-13-16)17(19)18-15-8-6-4-3-5-7-9-15/h10-13,15H,2-9H2,1H3,(H,18,19)
InChIKeySNBGWBQTELOILB-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-ethoxybenzamide?
The IUPAC name of N-cyclooctyl-4-ethoxybenzamide (CID 3267472) is N-cyclooctyl-4-ethoxybenzamide.
What is the SMILES notation for N-cyclooctyl-4-ethoxybenzamide?
The canonical SMILES for N-cyclooctyl-4-ethoxybenzamide is CCOc1ccc(C(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of N-cyclooctyl-4-ethoxybenzamide?
The InChIKey is SNBGWBQTELOILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-20-16-12-10-14(11-13-16)17(19)18-15-8-6-4-3-5-7-9-15/h10-13,15H,2-9H2,1H3,(H,18,19).
What are the key properties of N-cyclooctyl-4-ethoxybenzamide?
N-cyclooctyl-4-ethoxybenzamide has a molecular weight of 275.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-ethoxybenzamide is sourced from PubChem (CID 3267472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).